Information card for entry 4119686

Structure parameters

• Common name: MB-V-47
• Chemical name: complex7
• Formula: C25 H30 F7 N O Rh Sb
• Calculated formula: C25 H30 F7 N O Rh Sb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(c2cc(ccc2c2cccc[n]12)F)[O]1CCCC1)C)C)C)C.F[Sb](F)(F)(F)([F-])F
• Title of publication: Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation
• Authors of publication: Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6427 - 6430
• a: 8.4208 ± 0.0006 Å
• b: 11.1142 ± 0.0008 Å
• c: 14.2048 ± 0.001 Å
• α: 92.386 ± 0.003°
• β: 97.506 ± 0.003°
• γ: 98.759 ± 0.003°
• Cell volume: 1300.1 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No